null

SMILES: CCOP(=O)(OCC)OC(CCC#N)c1ccc(C)cc1

InChI Key: InChIKey=NTTOLBZYYVMXCO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 227562   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM227562 (Diethyl-3-cyano-1-p-tolylpropylphosphate (3c)) Show SMILES CCOP(=O)(OCC)OC(CCC#N)c1ccc(C)cc1 Show InChI InChI=1S/C15H22NO4P/c1-4-18-21(17,19-5-2)20-15(7-6-12-16)14-10-8-13(3)9-11-14/h8-11,15H,4-7H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Carthage					Assay Description The eight synthesized dialkyl-3-cyanopropylphosphates (3a-h) were dissolved in0.01 M dimethyl sulphoxide and then diluted in demineralized water to 1...				Bioorg Chem 72: 301-307 (2017) BindingDB Entry DOI: 10.7270/Q21G0K51
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM227562 (Diethyl-3-cyano-1-p-tolylpropylphosphate (3c)) Show SMILES CCOP(=O)(OCC)OC(CCC#N)c1ccc(C)cc1 Show InChI InChI=1S/C15H22NO4P/c1-4-18-21(17,19-5-2)20-15(7-6-12-16)14-10-8-13(3)9-11-14/h8-11,15H,4-7H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	9.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Carthage					Assay Description The eight synthesized dialkyl-3-cyanopropylphosphates (3a-h) were dissolved in0.01 M dimethyl sulphoxide and then diluted in demineralized water to 1...				Bioorg Chem 72: 301-307 (2017) BindingDB Entry DOI: 10.7270/Q21G0K51
					More data for this Ligand-Target Pair